SCHEMBL11295161

SCHEMBL11295161

CCC(O)(C#Cc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3Oc3ccc(C#CC(O)(CC)CC)cc3)cc2)cc1)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.41
MMP13 P45452 8/20 0.41
MMP8 P22894 7/20 0.41
MMP12 P39900 7/20 0.41
MMP9 P14780 6/20 0.41
MMP14 P50281 6/20 0.41
MMP16 P51512 6/20 0.41
MMP3 P08254 4/20 0.41
MMP1 P03956 2/20 0.39
HTR6 P50406 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NAMPT P43490 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
HSD11B1 P28845 3/20 0.36
CASP1 P29466 1/20 0.36
NR1H2 P55055 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11301045 1.00 MMP2 (0.41) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11290722 0.95 MMP2 (0.40) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11296544 0.93 MMP2 (0.39) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11292236 0.93 MMP2 (0.39) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11297370 0.92 MMP2 (0.38) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11298354 0.91 MMP2 (0.41) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11294506 0.91 MMP2 (0.40) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11293162 0.91 MMP2 (0.40) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11298821 0.90 MMP2 (0.39) MMP2MMP13MMP8MMP12MMP9
SCHEMBL11292555 0.89 MMP2 (0.41) MMP2MMP13MMP8MMP12MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US disclosed